[1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate

C30H33F3N4O4 — CID 66826899

About [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate

[1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate (PubChem CID 66826899) has the molecular formula C30H33F3N4O4 and a molecular weight of 570.61 g/mol. Its IUPAC name is [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate.

Molecular Properties

• Compound Name: [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate
• PubChem CID: 66826899
• Molecular Formula: C30H33F3N4O4
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.25
• IUPAC Name: [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate
• SMILES: Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N3C=C(OC(=O)O)C(C(F)(F)F)=CC3)CC4)CC2)cc(C)n1
• InChI: InChI=1S/C30H33F3N4O4/c1-18-14-23(15-19(2)34-18)36-11-8-22(9-12-36)35(3)28(38)21-5-4-20-6-7-26(24(20)16-21)37-13-10-25(30(31,32)33)27(17-37)41-29(39)40/h4-5,10,14-17,22,26H,6-9,11-13H2,1-3H3,(H,39,40)
• InChIKey: NHPRKQCABABWDJ-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 86.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate?

The IUPAC name of [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate (CID 66826899) is [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate.

What is the SMILES notation for [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate?

The canonical SMILES for [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N3C=C(OC(=O)O)C(C(F)(F)F)=CC3)CC4)CC2)cc(C)n1.

What is the InChIKey of [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate?

The InChIKey is NHPRKQCABABWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N4O4/c1-18-14-23(15-19(2)34-18)36-11-8-22(9-12-36)35(3)28(38)21-5-4-20-6-7-26(24(20)16-21)37-13-10-25(30(31,32)33)27(17-37)41-29(39)40/h4-5,10,14-17,22,26H,6-9,11-13H2,1-3H3,(H,39,40).

What are the key properties of [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate?

[1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate has a molecular weight of 570.61 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)-2H-pyridin-5-yl] hydrogen carbonate is sourced from PubChem (CID 66826899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).